N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide

C7H7Cl2NO2S — CID 130682625

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
SMILESO=C(CO)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H7Cl2NO2S/c8-5-1-4(7(9)13-5)2-10-6(12)3-11/h1,11H,2-3H2,(H,10,12)
InChIKeyXVPPGTYNCLQCIM-UHFFFAOYSA-N
MW240.11 g/mol
LogP1.66
Rot. Bonds3

About N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide

N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide (PubChem CID 130682625) has the molecular formula C7H7Cl2NO2S and a molecular weight of 240.11 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
PubChem CID130682625
Molecular FormulaC7H7Cl2NO2S
Molecular Weight240.11 g/mol
Exact Mass238.96
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
SMILESO=C(CO)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H7Cl2NO2S/c8-5-1-4(7(9)13-5)2-10-6(12)3-11/h1,11H,2-3H2,(H,10,12)
InChIKeyXVPPGTYNCLQCIM-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide
CID 130671918
N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
CID 131048910
methyl 5-chloro-4-[[(2-chloroacetyl)amino]methyl]thiophene-2-carboxylate
CID 166414711
(2,5-dichlorothiophen-3-yl)methylhydrazine;hydrochloride
CID 154577383
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
CID 107961487

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide (CID 130682625) is N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide is O=C(CO)NCc1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide?
The InChIKey is XVPPGTYNCLQCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2S/c8-5-1-4(7(9)13-5)2-10-6(12)3-11/h1,11H,2-3H2,(H,10,12).
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide?
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide has a molecular weight of 240.11 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide is sourced from PubChem (CID 130682625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).